Paraben

Paraben

SCHEMBL6318342

O=C(O)c1ccc(O)cc1.O=C(O)c1cccc(C(=O)Oc2ccc(OC(=O)c3ccc4cc(C(=O)O)ccc4c3)cc2)c1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
ESR1 P03372 3/20 0.52
MEN1 O00255 5/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA6 P23280 2/20 0.47
CA9 Q16790 2/20 0.47
CA3 P07451 1/20 0.47
TYR P14679 1/20 0.47
DRD1 P21728 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Paraben SCHEMBL6850922 0.99 KMT2A (0.53) KMT2AESR1MEN1CASP3SENP8
Paraben SCHEMBL5079569 0.94 CA1 (0.53) KMT2AESR1MEN1CASP3SENP8
Paraben SCHEMBL5260518 0.92 CA12 (0.52) KMT2AESR1MEN1CASP3SENP8
Terephthalic Acid SCHEMBL4935828 0.92 CA12 (0.52) KMT2AESR1MEN1CASP3SENP8
SCHEMBL9435811 0.92 CA12 (0.53) KMT2AESR1MEN1CASP3SENP8
SCHEMBL5024613 0.92 CA1 (0.55) KMT2AESR1MEN1CASP3SENP8
SCHEMBL5082552 0.91 KMT2A (0.51) KMT2AESR1MEN1CASP3SENP8
SCHEMBL12268530 0.90 KMT2A (0.55) KMT2AESR1MEN1CASP3SENP8
Paraben SCHEMBL3853193 0.90 LMNA (0.54) KMT2AESR1MEN1MAPTTDP1
SCHEMBL4135573 0.90 LMNA (0.54) KMT2AESR1MEN1MAPTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861463-B2 Liquid crystalline polymer compositions containing small particle size fillers E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-01 US disclosed
US-20030212187-A1 Liquid crystalline polymer compositions containing small particle size fillers TICONA LLC 2003-11-13 US disclosed
EP-1246867-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS CONTAINING SMALL PARTICLE SIZE FILLERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-10-09 EP disclosed
US-20020028867-A1 Liquid crystalline polymer compositions containing small particle size fillers E.I. DU PONT DE NEMOURS AND COMPANY 2002-03-07 US disclosed
WO-2001051555-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS CONTAINING SMALL PARTICLE SIZE FILLERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-07-19 WO disclosed